SCHEMBL7092534

SCHEMBL7092534

COc1nc2ccccc2n1C1CCN(C2(c3ccccc3)CCCCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.49
OPRK1 P41145 11/20 0.49
OGFRL1 Q5TC84 3/20 0.49
OPRL1 P41146 13/20 0.48
OPRD1 P41143 10/20 0.48
CCR5 P51681 1/20 0.47
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
CYP2B6 P20813 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
PRCP P42785 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GRIN1 Q05586 1/20 0.46
KCNH2 Q12809 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7094122 0.85 CYP2D6 (0.52) OPRM1OPRK1OGFRL1OPRL1OPRD1
SCHEMBL7095626 0.85 OPRM1 (0.44) OPRM1OPRK1OGFRL1OPRL1OPRD1
SCHEMBL7097285 0.85 OPRM1 (0.50) OPRM1OPRK1OGFRL1OPRL1OPRD1
SCHEMBL7094150 0.83 OPRM1 (0.58) OPRM1OPRK1OGFRL1OPRL1OPRD1
SCHEMBL6216571 0.83 OPRM1 (0.50) OPRM1OPRK1OGFRL1OPRL1OPRD1
SCHEMBL7095434 0.83 OPRM1 (0.49) OPRM1OPRK1OGFRL1OPRL1OPRD1
SCHEMBL7095112 0.83 OPRM1 (0.49) OPRM1OPRK1OGFRL1OPRL1OPRD1
SCHEMBL7094475 0.83 OPRM1 (0.49) OPRM1OPRK1OGFRL1OPRL1OPRD1
SCHEMBL7096549 0.83 OPRM1 (0.49) OPRM1OPRK1OGFRL1OPRL1OPRD1
SCHEMBL7091542 0.83 OPRM1 (0.49) OPRM1OPRK1OGFRL1OPRL1OPRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030109549-A1 2-Substituted-1-piperidyl benzimidazole compounds as ORL1-receptor agonists ITO FUMITAKA (JP) 2003-06-12 US disclosed
EP-1102762-B1 2-SUBSTITUTED-1-PIPERIDYL BENZIMIDAZOLE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER (US) 2002-11-13 EP disclosed
EP-1102762-A2 2-SUBSTITUTED-1-PIPERIDYL BENZIMIDAZOLE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER INC. (US) 2001-05-30 EP disclosed
US-6172067-B1 ANALGESICS, ANTIINFLAMMATORY AGENTS PFIZER INC. 2001-01-09 US disclosed
WO-2000008013-A2 2-SUBSTITUTED-1-PIPERIDYL BENZIMIDAZOLE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2000-02-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030109549-A1 2-Substituted-1-piperidyl benzimidazole compounds as ORL1-receptor agonists OPRL1, ORMDL3, OPRM1 OPRM1 3/4885OPRK1 6/4885OGFRL1 4/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.